NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.7088 0.0000 0.0000 62.6790 32.6863 174.9750 3 F 4.6515 9.1894 128.6300 55.4310 41.0703 172.7258 4 I 4.5171 7.8173 127.2609 59.9303 39.0651 173.8604 5 Y 4.6955 8.6613 127.9631 55.8268 41.3142 174.3206 6 R 4.3996 7.8208 125.1894 54.8416 32.1335 175.5316 7 R 4.0988 7.4356 120.8435 55.0890 33.9301 173.3099 8 R 4.9802 7.9639 123.4347 54.0612 33.2640 175.1886 9 V 4.0102 8.8308 126.3739 63.1979 32.6634 175.5004 10 Q 4.7152 9.4053 127.6285 54.8558 30.1401 176.8248 11 F 3.8254 9.1343 123.4432 61.5068 39.4733 176.7976 12 Y 4.3651 7.9986 115.8427 58.8425 37.9810 176.3271 13 E 4.2886 7.7609 119.6600 56.5658 30.0672 176.3396 14 T 4.7316 7.3618 109.4663 60.1483 70.6762 172.7903 15 D 4.9197 8.1877 120.6244 50.7590 42.3401 176.2736 16 A 3.9991 8.6730 121.0563 55.5335 18.0729 178.6257 17 Q 3.9972 8.1585 115.2257 57.3114 29.1469 176.8782 18 G 3.9587 8.9406 105.7963 46.0003 0.0000 172.7309 19 I 4.9814 7.1954 111.6542 58.2289 41.7597 174.4777 20 V 4.0687 8.3580 123.6791 63.0139 31.9525 175.3538 21 H 4.2257 8.8162 128.6259 56.4010 30.3577 175.7334 22 H 4.0975 8.7088 121.5398 59.0526 27.5999 177.8491 23 S 4.5330 7.7675 115.9525 61.1337 63.0080 175.8205 24 N 3.9461 8.2981 119.8771 55.5677 38.0899 176.8108 25 Y 3.1987 7.5534 118.6009 60.6968 37.8287 178.5119 26 F 4.0612 7.1325 118.1377 60.4155 38.9489 177.9348 27 R 4.0263 7.5486 117.4507 59.2031 29.9619 178.3766 28 Y 4.4678 7.3635 116.7314 61.1731 37.8191 178.4934 29 F 4.4461 7.8618 119.0625 60.2800 38.8595 177.4408 30 E 3.9975 8.1921 119.2547 59.3611 29.4809 178.6814 31 E 3.8929 8.3669 118.4319 59.1766 29.4208 179.2608 32 A 3.4725 7.7753 120.7605 55.1655 18.5423 179.8844 33 R 3.7192 8.1883 116.7409 59.1246 30.0410 179.6044 34 G 3.6019 8.0244 105.5120 47.9874 0.0000 175.7333 35 E 4.0796 8.0814 121.5335 58.6605 29.2388 178.9999 36 F 2.3567 7.9414 120.8002 60.9994 39.2256 177.3417 37 L 3.7430 7.8879 118.2763 57.4839 41.3093 179.6154 38 R 3.9076 7.8247 119.1733 59.3104 29.8583 178.6820 39 S 4.3352 8.2328 113.2371 60.9339 62.9403 175.8387 40 K 4.1446 7.1444 118.9253 56.6326 32.0961 177.7235 41 G 3.9853 8.8584 108.1121 45.2871 0.0000 174.1857 42 F 5.1082 7.5913 121.0480 55.2765 39.4814 172.3473 43 P 4.4882 0.0000 0.0000 61.8635 32.5826 177.6388 44 Y 4.2259 8.7603 120.4625 61.1161 38.4533 178.8069 45 S 3.9360 8.0586 114.6965 61.2001 61.5704 176.3134 46 K 3.9973 8.1135 123.2372 59.5164 31.9916 178.6654 47 M 4.2849 7.7916 118.5052 58.5379 31.8176 178.8370 48 R 4.3534 7.4664 119.4402 58.6526 29.9639 178.0642 49 D 4.8459 7.7803 115.1657 54.8913 40.7571 176.3497 50 M 4.4899 7.2495 115.9542 54.8444 32.9156 176.5592 51 G 3.9900 8.3230 105.7258 45.8411 0.0000 173.8619 52 L 4.5179 7.7000 120.1797 54.2415 43.5103 175.5925 53 E 4.9861 8.8702 121.9369 54.6885 33.2956 174.1013 54 V 4.6305 8.9713 127.5816 61.9293 32.6744 174.9743 55 V 4.3663 9.0895 129.0162 61.0974 33.5020 174.3221 56 L 4.4383 8.5002 130.2889 55.1805 42.1228 176.0059 57 L 4.4682 9.0862 127.6057 56.8772 42.6241 176.7537 58 N 5.0214 7.6413 113.3944 51.7621 40.4550 173.1652 59 A 5.3035 8.4270 120.9782 50.6702 22.6424 174.7599 60 Y 5.0177 9.3937 121.3952 56.3519 42.9260 173.6131 61 C 4.7206 7.6384 124.2602 57.9428 35.0180 172.4595 62 E 4.3838 8.7797 125.8285 54.6878 31.7055 174.3683 63 Y 4.4469 8.6381 124.0893 57.2797 39.2801 175.6067 64 K 4.4172 8.9693 127.9435 56.3761 32.9781 173.4876 65 K 4.5919 7.6113 118.5824 53.3399 35.3915 174.3734 66 P 4.5903 0.0000 0.0000 62.4566 32.9365 174.9703 67 L 4.4036 8.0579 118.8167 52.8158 44.8912 175.9817 68 F 5.3769 8.6732 120.8813 55.2325 42.5724 174.4964 69 Y 4.3687 8.7972 120.9930 59.6829 38.8132 175.9571 70 D 4.0825 8.0646 123.7479 54.4866 40.7306 173.3344 71 D 4.6371 7.8888 118.2032 54.5529 42.0722 175.3230 72 V 4.7333 8.2971 122.5515 61.6617 33.2883 174.6348 73 F 5.1537 8.5045 121.2418 56.0204 41.9721 172.5652 74 E 4.9959 9.6987 118.3371 54.5197 33.7565 175.2757 75 V 4.9667 8.9002 123.3228 61.8296 34.1021 174.2988 76 H 5.2422 9.7189 127.1756 54.5951 29.7100 174.0453 77 L 4.6892 9.0151 126.9124 54.1459 43.9274 175.2018 78 N 5.1753 8.4260 121.6824 51.3545 43.1576 173.3313 79 L 4.2442 8.6045 125.9599 55.2611 42.1346 176.1103 80 E 4.2483 9.3074 127.4003 58.7016 30.3141 177.0821 81 E 4.5867 7.7917 119.2033 54.4499 33.5037 173.3916 82 L 4.9560 8.6817 128.5071 53.7187 43.9737 174.9815 83 S 4.8664 8.8078 125.5772 56.8874 65.8111 174.8042 *84 R 4.1006 8.4819 117.0008 58.7687 29.2992 173.6664 85 F 5.0087 8.1103 114.2721 57.3716 40.9911 174.5407 86 T 5.2746 8.0372 110.3703 60.1296 72.6458 172.7718 87 F 5.4655 8.5609 116.2601 55.7573 41.8500 173.4774 88 T 4.9117 8.8765 117.0640 61.8252 72.2446 172.8837 89 F 5.4052 9.0424 124.0959 55.5920 42.4032 174.5466 90 S 5.2141 8.6676 116.5726 56.8181 65.9744 172.5730 91 Y 5.3080 9.2836 118.9172 56.4535 42.4618 174.4065 92 I 4.8619 8.5103 121.4493 59.6483 41.4381 174.3487 93 V 4.8263 8.9871 127.5553 61.5539 33.2357 174.3894 94 F 5.5360 9.5001 126.9907 55.5903 42.2632 174.3643 95 K 4.7744 8.9581 123.8545 54.9255 35.1048 175.9980 96 E 3.8703 9.8734 127.9501 57.7952 27.0919 174.5991 97 D 4.4441 8.4899 112.1921 55.1315 38.6116 173.8178 98 I 4.5315 7.8647 119.8645 59.1329 39.5126 174.9796 99 A 4.0169 8.7483 127.9100 52.5711 17.8073 177.2557 100 V 4.2314 8.3067 115.8248 61.9627 33.3200 176.0171 101 A 4.6326 7.0607 120.1727 51.1383 22.1180 175.3070 102 K 4.9982 7.9575 117.9497 55.6822 36.8329 175.2173 103 A 4.8982 8.7218 122.5973 52.1796 23.1398 174.3690 104 N 5.4360 8.7673 112.6888 53.0043 40.8348 174.0306 105 T 5.2597 9.0801 110.0375 60.0376 72.9740 172.3759 106 K 4.8296 8.8218 123.9206 55.0423 35.4308 174.5868 107 H 5.4263 8.7440 123.2781 54.0691 33.3493 171.8448 108 C 5.4149 9.0661 114.5341 55.8350 33.9370 172.3038 109 M 5.4452 8.6879 116.9784 53.5596 35.7644 175.0300 110 V 4.8327 8.9296 122.0666 61.2722 34.2602 175.8944 111 K 4.6081 8.6782 124.7931 55.9573 33.9976 175.8330 *115 I 4.0966 7.6414 118.1524 61.5793 37.8749 174.8325 116 V 4.7956 8.2910 117.6196 58.9709 35.3746 175.4634 117 S 4.0726 8.8299 116.3586 58.2761 63.1370 173.6645 118 I 4.0793 8.2470 127.6249 60.3376 37.2205 174.5888 119 P 4.3330 0.0000 0.0000 63.3294 32.0012 177.7788 120 K 3.8822 8.9319 125.1283 60.3455 31.3057 180.0785 121 E 4.2185 8.1456 116.9320 58.9958 29.7244 178.9111 122 V 3.8403 7.8129 118.9750 65.6272 31.7499 177.3026 123 L 3.9209 8.2191 122.7423 59.0815 41.6033 179.5251 124 E 4.0368 8.1942 116.9404 60.6985 29.7355 180.5412 125 V 4.2690 7.5341 109.9135 61.9970 32.2004 177.5576 126 L 4.4774 7.7361 120.5791 57.0169 41.9940 177.1562 127 K 4.0789 7.6908 123.7940 55.1047 31.6234 179.5929 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 P 0.00 4.71 0.00 1.87 1.93 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.60 0.00 3 F 9.19 4.65 0.00 3.43 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 7.82 4.52 1.59 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.48 0.78 0.00 0.00 5 Y 8.66 4.70 0.00 3.18 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 7.82 4.40 0.00 1.40 1.51 0.00 3.16 0.00 0.00 3.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.39 0.00 7 R 7.44 4.10 0.00 1.02 0.66 0.00 2.95 0.00 0.00 2.93 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.16 0.00 8 R 7.96 4.98 0.00 1.69 1.66 0.00 3.23 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.57 0.00 9 V 8.83 4.01 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.93 0.00 0.00 10 Q 9.41 4.72 0.00 1.55 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 11 F 9.13 3.83 0.00 2.78 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.00 4.37 0.00 3.13 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.76 4.29 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.47 0.00 14 T 7.36 4.73 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 15 D 8.19 4.92 0.00 2.89 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.67 4.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.16 4.00 0.00 2.02 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.07 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 18 G 8.94 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.20 4.98 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.75 1.10 0.00 0.00 20 V 8.36 4.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.83 0.00 0.00 21 H 8.82 4.23 0.00 3.22 3.08 0.00 5.66 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 H 8.71 4.10 0.00 2.73 2.69 0.00 5.71 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 7.77 4.53 0.00 4.15 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.30 3.95 0.00 2.61 2.21 0.00 0.00 6.85 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 7.55 3.20 0.00 2.50 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 7.13 4.06 0.00 3.19 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.55 4.03 0.00 1.83 1.96 0.00 3.09 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 28 Y 7.36 4.47 0.00 2.74 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 7.86 4.45 0.00 2.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.19 4.00 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 31 E 8.37 3.89 0.00 2.22 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.64 0.00 32 A 7.78 3.47 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.19 3.72 0.00 2.00 1.88 0.00 3.17 0.00 0.00 3.43 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 2.00 0.00 34 G 8.02 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.08 4.08 0.00 2.31 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.82 0.00 36 F 7.94 2.36 0.00 2.34 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.89 3.74 0.00 1.70 1.83 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.82 3.91 0.00 2.08 2.07 0.00 3.15 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 39 S 8.23 4.34 0.00 4.10 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 7.14 4.14 0.00 1.75 1.77 0.00 1.57 0.00 0.00 1.51 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.93 1.28 7.81 41 G 8.86 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.59 5.11 0.00 2.72 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.49 0.00 2.31 2.21 0.00 3.97 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.01 0.00 44 Y 8.76 4.23 0.00 3.04 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.06 3.94 0.00 4.06 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.11 4.00 0.00 2.14 2.31 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.73 7.81 47 M 7.79 4.28 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.97 0.00 48 R 7.47 4.35 0.00 1.79 1.81 0.00 2.74 0.00 0.00 2.97 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.57 0.00 49 D 7.78 4.85 0.00 2.67 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 M 7.25 4.49 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 51 G 8.32 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.70 4.52 0.00 1.73 1.65 1.01 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.87 4.99 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 54 V 8.97 4.63 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.19 0.00 0.00 55 V 9.09 4.37 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.98 0.00 0.00 56 L 8.50 4.44 0.00 1.68 1.54 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 57 L 9.09 4.47 0.00 1.57 1.64 0.87 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 58 N 7.64 5.02 0.00 2.72 2.83 0.00 0.00 5.82 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.43 5.30 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 9.39 5.02 0.00 3.04 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 C 7.64 4.72 0.00 2.67 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.78 4.38 0.00 1.85 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 63 Y 8.64 4.45 0.00 2.63 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.97 4.42 0.00 1.52 1.70 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.31 1.27 7.81 65 K 7.61 4.59 0.00 1.64 1.64 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.32 7.81 66 P 0.00 4.59 0.00 1.73 1.96 0.00 3.63 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.99 0.00 67 L 8.06 4.40 0.00 1.35 1.25 -0.01 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 68 F 8.67 5.38 0.00 3.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 8.80 4.37 0.00 2.84 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.06 4.08 0.00 1.70 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 7.89 4.64 0.00 2.93 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.30 4.73 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.88 0.00 0.00 73 F 8.50 5.15 0.00 3.31 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 9.70 5.00 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 75 V 8.90 4.97 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 1.33 0.00 0.00 76 H 9.72 5.24 0.00 3.50 3.44 0.00 5.85 0.00 0.00 0.00 0.00 6.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 9.02 4.69 0.00 1.78 1.61 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.43 5.18 0.00 2.64 2.60 0.00 0.00 6.58 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.60 4.24 0.00 1.67 1.61 0.70 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 80 E 9.31 4.25 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 81 E 7.79 4.59 0.00 1.95 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 82 L 8.68 4.96 0.00 1.59 1.52 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.81 4.87 0.00 3.99 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *84 R 8.48 4.10 0.00 1.76 1.98 0.00 3.19 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.22 0.00 85 F 8.11 5.01 0.00 3.11 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 8.04 5.27 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 87 F 8.56 5.47 0.00 2.78 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.88 4.91 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 89 F 9.04 5.41 0.00 2.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 S 8.67 5.21 0.00 3.82 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 9.28 5.31 0.00 2.38 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 8.51 4.86 1.85 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.76 -0.02 0.00 0.00 93 V 8.99 4.83 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.25 0.00 0.00 94 F 9.50 5.54 0.00 3.03 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.96 4.77 0.00 1.82 1.65 0.00 1.87 0.00 0.00 1.66 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.63 7.81 96 E 9.87 3.87 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 97 D 8.49 4.44 0.00 2.83 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 I 7.86 4.53 2.08 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.03 0.95 0.00 0.00 99 A 8.75 4.02 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.31 4.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.95 0.00 0.00 101 A 7.06 4.63 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 K 7.96 5.00 0.00 1.85 1.75 0.00 1.37 0.00 0.00 1.64 0.00 0.00 3.29 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.27 1.39 7.81 103 A 8.72 4.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 8.77 5.44 0.00 2.92 2.94 0.00 0.00 6.92 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 T 9.08 5.26 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 106 K 8.82 4.83 0.00 1.74 1.65 0.00 1.51 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.20 1.26 7.81 107 H 8.74 5.43 0.00 1.50 2.84 0.00 5.61 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 9.07 5.41 0.00 3.05 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 M 8.69 5.45 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.73 0.00 110 V 8.93 4.83 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.97 0.00 0.00 111 K 8.68 4.61 0.00 1.74 1.78 0.00 1.91 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.47 7.81 *115 I 7.64 4.10 1.78 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.87 0.80 0.00 0.00 116 V 8.29 4.80 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.03 0.00 0.00 117 S 8.83 4.07 0.00 3.90 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 I 8.25 4.08 1.83 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.86 0.85 0.00 0.00 119 P 0.00 4.33 0.00 2.48 2.24 0.00 3.75 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 120 K 8.93 3.88 0.00 1.78 1.88 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.09 7.81 121 E 8.15 4.22 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 122 V 7.81 3.84 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.95 0.00 0.00 123 L 8.22 3.92 0.00 2.03 1.77 0.86 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.19 4.04 0.00 2.11 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 125 V 7.53 4.27 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.05 0.00 0.00 126 L 7.74 4.48 0.00 1.65 1.62 0.06 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 127 K 7.69 4.08 0.00 1.77 1.62 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.40 1.30 7.81 * Residues marked with a * may have inaccurate shift predictions.